Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C29H20F3NO/c30-29(31,32)26-19-17-25(18-20-26)28(34)33(21-23-11-5-2-6-12-23)27-14-8-7-13-24(27)16-15-22-9-3-1-4-10-22/h1-14,17-20H,21H2
SMILES O=C(N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1)c1ccc(cc1)C(F)(F)F
InChI Key MROLNKQGHLLVEZ-UHFFFAOYSA-N
Molecular Formula C29H20F3NO
Exact Mass 455.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MROLNKQGHLLVEZ-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/MROLNKQGHLLVEZ-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:21:28.782506
MetadataModified 2024-09-07T23:01:29.908731
MetadataPublished 2022-09-15
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
164889736 PubChem
The data in this table is sourced from UniChem at EBI.